N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C14H12N6O — CID 133355593

IUPACN-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc2nnnn2n1
InChIInChI=1S/C14H12N6O/c1-19(14-7-6-13-15-17-18-20(13)16-14)9-11-8-10-4-2-3-5-12(10)21-11/h2-8H,9H2,1H3
InChIKeyZDSBUIKKMFJWIF-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.90
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133355593) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133355593
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc2nnnn2n1
InChIInChI=1S/C14H12N6O/c1-19(14-7-6-13-15-17-18-20(13)16-14)9-11-8-10-4-2-3-5-12(10)21-11/h2-8H,9H2,1H3
InChIKeyZDSBUIKKMFJWIF-UHFFFAOYSA-N
XLogP1.90
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 133355593) is N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(Cc1cc2ccccc2o1)c1ccc2nnnn2n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is ZDSBUIKKMFJWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-19(14-7-6-13-15-17-18-20(13)16-14)9-11-8-10-4-2-3-5-12(10)21-11/h2-8H,9H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 280.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133355593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).